Citric Acid → HCID 57476293, compound

HRID 135616Notes

Reaction equation

HRID 135616 reaction equation
[BH4-:31].[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12]3=[N:16][CH2:15][CH:14]([CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[S:13]3)[nH:10][c:11]12)[S:23](=[O:24])(=[O:25])[c:26]1[s:27][cH:28][cH:29][cH:30]1.[CH3:51][OH:52].[Li+:32].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH:38][C:39]([CH2:40][C:41]([C:42](=[O:43])[OH:44])([CH2:45][C:46](=[O:47])[OH:48])[OH:49])=[O:50]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12]3=[N:16][CH2:15][CH:14]([CH2:17][CH2:18][OH:19])[S:13]3)[nH:10][c:11]12)[S:23](=[O:24])(=[O:25])[c:26]1[s:27][cH:28][cH:29][cH:30]1

Participants

7

Sources & evidence

ORD record
ord-21ce41b207434e679f1b9602d1dd0d54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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